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Structure-Affinity Modeling of Azo Dye Adsorption on Cellulose Fibre by MLR
* 1 , 2 , 3 , 2
1  Institute of Chemistry of the Romanian Academy, 24 Mihai Viteazul Bvd., 300223 Timisoara, Romania
2  University of Medicine and Pharmacy "Victor Babes" Timisoara, Faculty of Pharmacy, 2 E. Murgu P-ta, 300041 Timisoara, Romania
3  Institut für Chemie, Karl-Franzens Universität Graz, Heinrichstrasse 28, A-8010 Graz, Austria

Abstract: Quantitative structure-affinity relationships were applied by multiple linear regression (MLR) analysis for a series of 21 monoazo dyes. Calculated 0D, 1D and 2D structural dye features were correlated to their affinity for cellulose. Variable selection was performed by the genetic algorithm. Good correlations with dye affinity and models with predictive power were obtained. Electrostatic interactions are favorable and hydrophobic disfavorable for dye binding on cellulose.